SCHEMBL8979755

SCHEMBL8979755

COc1ccc(S(=O)(=O)NCCCCN2CCc3ccccc3C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.77
HTR6 P50406 2/20 0.61
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
HTR1A P08908 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 1/20 0.58
DRD2 P14416 1/20 0.57
SLC6A4 P31645 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4229936 0.99 HTR7 (0.76) HTR7HTR6TDP1ALDH1A1PKM
SCHEMBL8980529 0.89 HTR7 (0.72) HTR7HTR6HTR1A
SCHEMBL8980490 0.89 HTR7 (0.72) HTR7HTR6TDP1
SCHEMBL8979883 0.88 HTR7 (0.82) HTR7HTR6HTR1A
SCHEMBL8979897 0.88 HTR7 (0.82) HTR7HTR6HTR1AHTR2ASLC6A4
Hydrochloric Acid SCHEMBL4216134 0.88 HTR7 (0.71) HTR7HTR6TDP1
SCHEMBL8981154 0.88 HTR7 (0.71) HTR7HTR6
Hydrochloric Acid SCHEMBL4222960 0.88 HTR7 (0.71) HTR7HTR6TDP1
SCHEMBL8979759 0.87 HTR7 (1.00) HTR7HTR6HTR1AHTR2A
SCHEMBL8980091 0.87 HTR7 (0.74) HTR7HTR6HTR2ADRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885HTR6 7/4885TDP1 2596/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.